N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide

C17H29N3O3 — CID 108556090

IUPACN-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-5-14(21)18-13-6-8-19(9-7-13)16(23)12-10-15(22)20(11-12)17(2,3)4/h12-13H,5-11H2,1-4H3,(H,18,21)
InChIKeyBHJVNUURAOZFSX-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.15
Rot. Bonds3

About N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide

N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide (PubChem CID 108556090) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
PubChem CID108556090
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H29N3O3/c1-5-14(21)18-13-6-8-19(9-7-13)16(23)12-10-15(22)20(11-12)17(2,3)4/h12-13H,5-11H2,1-4H3,(H,18,21)
InChIKeyBHJVNUURAOZFSX-UHFFFAOYSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide
CID 108558047
3-[1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-N-cyclopropylpropanamide
CID 42508719
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557732
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553431
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine
CID 108564837
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-cyclohexyl-N-ethylpiperidine-4-carboxamide
CID 17118971
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
1-tert-butyl-4-[4-(2-ethylbutanoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546262

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide (CID 108556090) is N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is BHJVNUURAOZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-5-14(21)18-13-6-8-19(9-7-13)16(23)12-10-15(22)20(11-12)17(2,3)4/h12-13H,5-11H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide?
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 323.44 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108556090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).